N-Phenylphthalimidine

Base Information

• Chemical Name: N-Phenylphthalimidine
• CAS No.: 5388-42-1
• Molecular Formula: C14H11 N O
• Molecular Weight: 209.247
• Hs Code.: 2933790090
• NSC Number: 97577
• UNII: U8M4WOJ0XS
• DSSTox Substance ID: DTXSID10202134
• Nikkaji Number: J50.527G
• Wikidata: Q83075402
• ChEMBL ID: CHEMBL1568952
• Mol file: 5388-42-1.mol

Synonyms:2-phenylisoindolin-1-one;5388-42-1;N-Phenylphthalimidine;Phthalimidine, 2-phenyl-;2-Phenyl-2,3-dihydro-isoindol-1-one;2-phenyl-3H-isoindol-1-one;1H-Isoindol-1-one, 2,3-dihydro-2-phenyl-;2,3-DIHYDRO-2-PHENYL-1H-ISOINDOL-1-OXO-ISOINDOLINE;2-phenyl-2,3-dihydro-1H-isoindol-1-one;NSC 97577;U8M4WOJ0XS;BRN 0149773;MFCD00023020;NSC-97577;5-21-08-00020 (Beilstein Handbook Reference);1H-Isoindol-1-one, 2,3-dihydro-2-phenyl- (9CI);N-phenylisoindolin-1-one;phenylisoindolinone;NSC97577;4-N-phenylisoindolinone;UNII-U8M4WOJ0XS;2-Phenyl-1-isoindolinone;2-Phenyl-1-isoindolinone #;MLS001204877;F1172-0012;SCHEMBL4188221;CHEMBL1568952;DTXSID10202134;HMS1677E05;HMS2813G18;BBL018973;STL119777;AKOS000523431;CCG-274907;SB66119;NCGC00245136-01;1H-Isoindol-1-one,3-dihydro-2-phenyl-;NS-02319;SMR000514256;LS-109530;CS-0156109;2,3-DIHYDRO-2-PHENYL-1H-ISOINDOL-1-ONE;AE-848/32184055;SR-01000359852;SR-01000359852-1;BRD-K29397763-001-10-8

Chemical Property of N-Phenylphthalimidine

Chemical Property:

• Vapor Pressure: 6.39E-06mmHg at 25°C
• Melting Point: 162.5°C
• Refractive Index: 1.5780 (estimate)
• Boiling Point: 378.2°Cat760mmHg
• PKA: 0.38±0.20(Predicted)
• Flash Point: 180.8°C
• PSA: 20.31000
• Density: 1.228g/cm³
• LogP: 2.91200
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

2-phenyl-2,3-dihydro-1H-isoindol-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3

Technology Process of N-Phenylphthalimidine

There total 71 articles about N-Phenylphthalimidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.5%

nitrobenzene (98-95-3,26969-40-4) + o-carboxybenzaldehyde (119-67-5) → N-phenylphthalimidine (5388-42-1)

Guidance literature:

With hydrogen; platinum; In 1,4-dioxane; at 80 ℃; under 750.075 Torr; Sealed tube;

DOI:10.1021/ol300471a

Reference yield: 99.0%

aniline (62-53-3) + o-carboxybenzaldehyde (119-67-5) → N-phenylphthalimidine (5388-42-1)

Guidance literature:

With formic acid; triethylamine; In ethanol; at 80 ℃; for 1h;

DOI:10.1002/cssc.201802460

Reference yield: 98.04%

methyl 2-bromomethylbenzoate (2417-73-4) + aniline (62-53-3) → N-phenylphthalimidine (5388-42-1)

Guidance literature:

at 140 ℃; for 2h;

upstream raw materials:

N-phenylphthalimide

2-benzofuran-1(3H)-one

aniline

2-thiophthalide

Downstream raw materials:

2-Phenyl-1-methylisoindole

1-phenylimino-2-phenylisoindoline

2-phenylisoindoline

2-(4-nitrophenyl)isoindolin-1-one

Refernces

• 1、 Bai, Ya,Shi, Lingling,Zheng, Lianyou,Ning, Shulin,Che, Xin,Zhang, Zhuoqi,Xiang, Jinbao. "Electroselective and Controlled Reduction of Cyclic Imides to Hydroxylactams and Lactams". supporting information. p. 2298 - 2302. Retrieved 2021/04/05.
• 2、 Agostini, Giovanni,Calvino, Jose. J.,Corma, Avelino,Gutiérrez-Tarri?o, Silvia,Lopes, Christian W.,O?a-Burgos, Pascual,Rojas-Buzo, Sergio. "Cobalt nanoclusters coated with N-doped carbon for chemoselective nitroarene hydrogenation and tandem reactions in water". supporting information. p. 4490 - 4501. Retrieved 2021/06/28.